7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H16N6O — CID 66274917

IUPAC7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCN(CCN)c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H16N6O/c1-3-15(5-4-11)8-6-9-13-14-10(17)16(9)7(2)12-8/h6H,3-5,11H2,1-2H3,(H,14,17)
InChIKeyMJBMONKPRXPWIE-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.49
Rot. Bonds4

About 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66274917) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66274917
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCN(CCN)c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H16N6O/c1-3-15(5-4-11)8-6-9-13-14-10(17)16(9)7(2)12-8/h6H,3-5,11H2,1-2H3,(H,14,17)
InChIKeyMJBMONKPRXPWIE-UHFFFAOYSA-N
XLogP-0.49
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66274917) is 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCN(CCN)c1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MJBMONKPRXPWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-3-15(5-4-11)8-6-9-13-14-10(17)16(9)7(2)12-8/h6H,3-5,11H2,1-2H3,(H,14,17).
What are the key properties of 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 236.28 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-aminoethyl(ethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66274917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).